Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.49 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.49 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.49 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.49 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.49 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13868575 | 0.90 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL2372546 | 0.88 | ALDH1A1 (0.83) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL10375728 | 0.86 | ALDH1A1 (0.80) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL13297951 | 0.84 | ALDH1A1 (0.90) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL12819436 | 0.84 | ALDH1A1 (0.96) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL29262458 | 0.84 | HTT (0.51) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL24762138 | 0.83 | SMN1; SMN2 (0.58) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL3917510 | 0.83 | HTT (0.71) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL29764484 | 0.83 | SMN1; SMN2 (0.58) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL24477877 | 0.83 | SMN1; SMN2 (0.58) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9193731-B2 | Antimicrobial compounds and methods of making and using the same | MELINTA THERAPEUTICS, INC. (US) | 2015-11-24 | — | — | US | disclosed |
| EP-2655371-B1 | PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-02-25 | — | — | EP | disclosed |
| WO-2012087782-A1 | PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-28 | — | — | WO | disclosed |